4-(azepan-1-ylcarbonyl)-N-[(4-fluorophenyl)methyl]piperidine-1-carbothioamide

Systemtic Name: 4-(azepan-1-ylcarbonyl)-N-[(4-fluorophenyl)methyl]piperidine-1-carbothioamide Openeye Name: 4-(azepane-1-carbonyl)-N-[(4-fluorophenyl)methyl]piperidine-1-carbothioamide CAS Name: 4-[1-azepanyl(oxo)methyl]-N-[(4-fluorophenyl)methyl]-1-piperidinecarbothioamide IUPAC Name: 4-(azepane-1-carbonyl)-N-[(4-fluorophenyl)methyl]piperidine-1-carbothioamide Traditional Name: 4-(azepane-1-carbonyl)-N-(4-fluorobenzyl)piperidine-1-carbothioamide Formula: C20H28FN3OS MolecularWeight: 377.519223

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C20H28FN3OS/c21-18-7-5-16(6-8-18)15-22-20(26)24-13-9-17(10-14-24)19(25)23-11-3-1-2-4-12-23/h5-8,17H,1-4,9-15H2,(H,22,26)